SCHEMBL8328418

SCHEMBL8328418

Cn1c(NCC2CCCN(Cc3ccc(F)cc3)C2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CCR3 P51677 1/20 0.39
ATM Q13315 1/20 0.38
KAT2B Q92831 1/20 0.37
LTA4H P09960 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8321744 0.92 LTA4H (0.44) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8328811 0.90 ALDH1A1 (0.39) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8328374 0.90 ACHE (0.42) MEN1KMT2A
SCHEMBL8328227 0.89 KMT2A (0.48) POLBMEN1KMT2AMAOBMAOA
SCHEMBL8330578 0.89 CYP1A2 (0.36) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL8327684 0.88 CCR3 (0.43) POLBMEN1KMT2AMAOBMAOA
SCHEMBL8321787 0.87 KMT2A (0.46) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8329441 0.85 ALDH1A1 (0.49) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8326767 0.83 DRD4 (0.47) MEN1KMT2ALMNASLC6A4
SCHEMBL8326581 0.81 SPHK2 (0.34) ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed